2-chloro-3-(3-chloro-2-fluorophenyl)propanal

C9H7Cl2FO — CID 62393384

IUPAC2-chloro-3-(3-chloro-2-fluorophenyl)propanal
SMILESO=CC(Cl)Cc1cccc(Cl)c1F
InChIInChI=1S/C9H7Cl2FO/c10-7(5-13)4-6-2-1-3-8(11)9(6)12/h1-3,5,7H,4H2
InChIKeyKGNVSGUWVBUCFV-UHFFFAOYSA-N
MW221.06 g/mol
LogP2.83
Rot. Bonds3

About 2-chloro-3-(3-chloro-2-fluorophenyl)propanal

2-chloro-3-(3-chloro-2-fluorophenyl)propanal (PubChem CID 62393384) has the molecular formula C9H7Cl2FO and a molecular weight of 221.06 g/mol. Its IUPAC name is 2-chloro-3-(3-chloro-2-fluorophenyl)propanal.

Molecular Properties

Compound Name2-chloro-3-(3-chloro-2-fluorophenyl)propanal
PubChem CID62393384
Molecular FormulaC9H7Cl2FO
Molecular Weight221.06 g/mol
Exact Mass219.99
IUPAC Name2-chloro-3-(3-chloro-2-fluorophenyl)propanal
SMILESO=CC(Cl)Cc1cccc(Cl)c1F
InChIInChI=1S/C9H7Cl2FO/c10-7(5-13)4-6-2-1-3-8(11)9(6)12/h1-3,5,7H,4H2
InChIKeyKGNVSGUWVBUCFV-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(2-fluorophenyl)propanal
CID 62393370
1-chloro-3-(4-chloro-2-methylpentyl)-2-fluorobenzene
CID 102862274
2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
CID 104513002
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
CID 102863748
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-bromo-2-methylpropyl)-3-chloro-2-fluorobenzene
CID 102863780
4-(3-chloro-2-fluorophenyl)butanal
CID 102861971
1-(3-bromo-2-methylbutyl)-3-chloro-2-fluorobenzene
CID 102858323
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-chloro-2-fluorophenyl)propanal?
The IUPAC name of 2-chloro-3-(3-chloro-2-fluorophenyl)propanal (CID 62393384) is 2-chloro-3-(3-chloro-2-fluorophenyl)propanal.
What is the SMILES notation for 2-chloro-3-(3-chloro-2-fluorophenyl)propanal?
The canonical SMILES for 2-chloro-3-(3-chloro-2-fluorophenyl)propanal is O=CC(Cl)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-chloro-3-(3-chloro-2-fluorophenyl)propanal?
The InChIKey is KGNVSGUWVBUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FO/c10-7(5-13)4-6-2-1-3-8(11)9(6)12/h1-3,5,7H,4H2.
What are the key properties of 2-chloro-3-(3-chloro-2-fluorophenyl)propanal?
2-chloro-3-(3-chloro-2-fluorophenyl)propanal has a molecular weight of 221.06 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-chloro-2-fluorophenyl)propanal is sourced from PubChem (CID 62393384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).